ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine

C64H44N4S — CID 142324570

About ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine

ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine (PubChem CID 142324570) has the molecular formula C64H44N4S and a molecular weight of 901.15 g/mol. Its IUPAC name is ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine.

Molecular Properties

• Compound Name: ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine
• PubChem CID: 142324570
• Molecular Formula: C64H44N4S
• Molecular Weight: 901.15 g/mol
• Exact Mass: 900.33
• IUPAC Name: ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine
• SMILES: CC.NC/N=C1C(=C(\c2ccccc2)n2c3ccc(-c4ccc5sc6ccc7c(ccc8c7c7cccc9c%10ccccc%10n8c97)c6c5c4)cc3c3c4ccccc4ccc32)\C=Cc2ccccc2\1
• InChI: InChI=1S/C62H38N4S.C2H6/c63-35-64-60-42-16-7-5-12-37(42)21-25-48(60)61(38-13-2-1-3-14-38)65-52-28-23-39(33-49(52)57-41-15-6-4-11-36(41)22-29-53(57)65)40-24-31-55-50(34-40)59-45-26-30-54-58(44(45)27-32-56(59)67-55)47-19-10-18-46-43-17-8-9-20-51(43)66(54)62(46)47;1-2/h1-34H,35,63H2;1-2H3/b61-48-,64-60-
• InChIKey: ZYZQZBLCGGUAOT-HHDDZQFISA-N
• XLogP: 17.00
• TPSA: 47.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.15
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine?

The IUPAC name of ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine (CID 142324570) is ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine.

What is the SMILES notation for ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine?

The canonical SMILES for ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine is CC.NC/N=C1C(=C(\c2ccccc2)n2c3ccc(-c4ccc5sc6ccc7c(ccc8c7c7cccc9c%10ccccc%10n8c97)c6c5c4)cc3c3c4ccccc4ccc32)\C=Cc2ccccc2\1.

What is the InChIKey of ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine?

The InChIKey is ZYZQZBLCGGUAOT-HHDDZQFISA-N. The full InChI is InChI=1S/C62H38N4S.C2H6/c63-35-64-60-42-16-7-5-12-37(42)21-25-48(60)61(38-13-2-1-3-14-38)65-52-28-23-39(33-49(52)57-41-15-6-4-11-36(41)22-29-53(57)65)40-24-31-55-50(34-40)59-45-26-30-54-58(44(45)27-32-56(59)67-55)47-19-10-18-46-43-17-8-9-20-51(43)66(54)62(46)47;1-2/h1-34H,35,63H2;1-2H3/b61-48-,64-60-;.

What are the key properties of ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine?

ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine has a molecular weight of 901.15 g/mol, XLogP of 17.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[(Z)-[(2Z)-2-[phenyl-[10-(7-thia-19-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8(13),9,11,16,20,22,24,26(30),27-tetradecaen-11-yl)benzo[c]carbazol-7-yl]methylidene]naphthalen-1-ylidene]amino]methanamine is sourced from PubChem (CID 142324570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).